SCHEMBL4625848

SCHEMBL4625848

[CH2]C1Cc2cccc(-c3cccc(F)c3)c2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
TAAR1 Q96RJ0 2/20 0.37
ESR2 Q92731 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
NOTUM Q6P988 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35
NOS3 P29474 1/20 0.35
PGR P06401 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GRM2 Q14416 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4597645 0.87 AQP1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596405 0.83 HTR1A (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4597049 0.82 HTR1A (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4625851 0.82 HTR1A (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596867 0.81 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4597054 0.79 HTR1A (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4228951 0.79 PRKAB2 (0.71) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4595105 0.78 TAAR1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4597588 0.78 HTR7 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047926 0.77 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed